1-(4-Iodophenyl)ethan-1-one

HCID 72869CAS 13329-40-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1ccc(I)cc1
InChIKey
JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular formula
C8H7IO
Average molar mass
246.04 g/mol
Monoisotopic mass
245.95416284

Names & identifiers

Preferred name
1-(4-Iodophenyl)ethan-1-one
IUPAC
1-(4-iodophenyl)ethanone
English name
4'-Iodoacetophenone
Molecular formula
C8H7IO
Molecular weight
246.05

Names & synonyms

1-(4-Iodophenyl)ethan-1-oneEINECS 236-372-8DTXSID70158047NSC 97396RefChem:425692DTXCID5080538236-372-84'-Iodoacetophenone13329-40-31-(4-Iodophenyl)ethanone4-IodoacetophenoneEthanone, 1-(4-iodophenyl)-
Show more names
4'-IODOACETOPHE4'-IODOACETOPHE4'-iodoaetophenoneOf iodine acetophenone4'-Iodoacetophenone>
p-IodoacetophenoneMFCD000453201-acetyl-4-iodobenzene4/'-Iodoacetophenone979JX4AA6ZNSC-973964-acetylphenyl iodide1-(4-iodo-phenyl)-ethanone

Database identifiers

CAS
13329-40-3
PubChem CID
72869
DTXSID
DTXSID70158047
ChEMBL
CHEMBL5276634
UNII
979JX4AA6Z
EC Number
236-372-8
Nikkaji
J150.885G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
82 · 82-84 °C(lit.)
Boiling point
142 · 142-144 °C(Press: 12 Torr)
Density
1.7411 · 1.7411 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
Crystalline Powder
color
Pale brown to brown

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29147090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesSynthesis of quinoline-based potential anticancer agents. Substrate for palladium-catalyzed coupling reactions

General DescriptionPd(0)-catalyzed cross coupling reaction of 4′-iodoacetophenone with siloxane has been reported. Heck-Mizoroki reactions of 4′-iodoacetophenone with styrene catalyzed by Pd nanoparticles in the flow reactor has been reported.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

53 records
New reaction record

Linked notes

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